data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.31 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 VAL -0.32 -1.36 0 33 TYR 3.90 4.51 0 75 TYR -5.32 -1.61 0 48 TYR -2.61 0.55 0 26 LEU 9.59 7.29 0 10 SER 6.50 4.30 1 11 LYS 4.06 3.80 1 12 MET 2.99 1.69 1 13 LEU 3.33 3.08 1 14 ARG 5.43 4.50 1 15 ALA 4.13 2.87 1 16 VAL 4.06 3.35 1 17 LEU 3.89 3.37 1 18 GLN 4.10 2.97 1 19 SER 1.15 0.95 1 20 HIS -0.27 -0.61 1 21 LYS 4.02 3.12 1 22 ASN 0.10 -0.26 1 24 ILE -4.66 -1.63 1 25 VAL 0.98 0.03 1 28 ARG -0.23 -0.15 1 29 LEU 4.43 4.36 1 30 GLN 6.13 4.54 1 32 GLU 3.29 2.47 1 34 ARG 4.10 2.91 1 35 SER 4.58 3.56 1 36 LEU 1.24 1.97 1 37 THR -1.02 0.84 1 39 ASP -5.51 -2.04 1 40 TRP -4.60 -2.61 1 41 ILE 2.34 1.77 1 43 PHE 4.40 3.21 1 44 LYS 4.26 2.76 1 45 GLN 5.07 3.37 1 46 LEU 1.24 0.21 1 50 THR -6.51 -3.06 1 51 LEU 4.33 2.45 1 52 GLU 5.32 4.12 1 53 ALA 3.39 2.63 1 54 TYR 3.41 1.98 1 55 LEU 3.84 2.23 1 56 ARG 3.63 2.46 1 57 SER 1.37 1.46 1 60 ALA 0.97 0.30 1 61 VAL 0.32 1.54 1 62 VAL -5.75 -3.19 1 63 ARG -3.73 -1.88 1 64 ILE -2.40 -1.55 1 65 GLU -4.99 -1.81 1 66 ALA -1.88 -1.43 1 67 SER -2.63 -1.20 1 68 ARG 4.21 2.97 1 69 SER 0.43 0.11 1 71 GLU -1.14 -0.52 1 72 ILE 1.11 -0.22 1 73 VAL -1.32 -0.46 1 76 ALA -0.16 -0.35 1 77 VAL 1.36 1.18 1 78 ALA 0.57 1.48 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 3.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.28 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 VAL -0.32 -1.04 0 33 TYR 3.90 0.61 0 75 TYR -5.32 3.71 0 48 TYR -2.61 3.16 0 26 LEU 9.59 -2.30 0 10 SER 6.50 -2.20 1 11 LYS 4.06 -0.26 1 12 MET 2.99 -1.30 1 13 LEU 3.33 -0.25 1 14 ARG 5.43 -0.93 1 15 ALA 4.13 -1.26 1 16 VAL 4.06 -0.71 1 17 LEU 3.89 -0.52 1 18 GLN 4.10 -1.13 1 19 SER 1.15 -0.20 1 20 HIS -0.27 -0.34 1 21 LYS 4.02 -0.90 1 22 ASN 0.10 -0.36 1 24 ILE -4.66 3.03 1 25 VAL 0.98 -0.95 1 28 ARG -0.23 0.08 1 29 LEU 4.43 -0.07 1 30 GLN 6.13 -1.59 1 32 GLU 3.29 -0.82 1 34 ARG 4.10 -1.19 1 35 SER 4.58 -1.02 1 36 LEU 1.24 0.73 1 37 THR -1.02 1.86 1 39 ASP -5.51 3.47 1 40 TRP -4.60 1.99 1 41 ILE 2.34 -0.57 1 43 PHE 4.40 -1.19 1 44 LYS 4.26 -1.50 1 45 GLN 5.07 -1.70 1 46 LEU 1.24 -1.03 1 50 THR -6.51 3.45 1 51 LEU 4.33 -1.88 1 52 GLU 5.32 -1.20 1 53 ALA 3.39 -0.76 1 54 TYR 3.41 -1.43 1 55 LEU 3.84 -1.61 1 56 ARG 3.63 -1.17 1 57 SER 1.37 0.09 1 60 ALA 0.97 -0.67 1 61 VAL 0.32 1.22 1 62 VAL -5.75 2.56 1 63 ARG -3.73 1.85 1 64 ILE -2.40 0.85 1 65 GLU -4.99 3.18 1 66 ALA -1.88 0.45 1 67 SER -2.63 1.43 1 68 ARG 4.21 -1.24 1 69 SER 0.43 -0.32 1 71 GLU -1.14 0.62 1 72 ILE 1.11 -1.33 1 73 VAL -1.32 0.86 1 76 ALA -0.16 -0.19 1 77 VAL 1.36 -0.18 1 78 ALA 0.57 0.91 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 0.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 TYR 3.41 -1.65 0 10 SER 6.50 -0.43 1 11 LYS 4.06 -0.28 1 12 MET 2.99 -0.06 1 13 LEU 3.33 -0.13 1 14 ARG 5.43 -0.50 1 15 ALA 4.13 -0.17 1 16 VAL 4.06 -0.26 1 17 LEU 3.89 -0.36 1 18 GLN 4.10 -0.36 1 19 SER 1.15 -0.08 1 20 HIS -0.27 0.09 1 21 LYS 4.02 -0.16 1 22 ASN 0.10 0.33 1 24 ILE -4.66 0.10 1 25 VAL 0.98 0.46 1 26 LEU 9.59 -0.67 1 28 ARG -0.23 0.17 1 29 LEU 4.43 -0.50 1 30 GLN 6.13 0.35 1 32 GLU 3.29 -0.08 1 33 TYR 3.90 -0.47 1 34 ARG 4.10 -0.06 1 35 SER 4.58 -0.42 1 36 LEU 1.24 0.00 1 37 THR -1.02 -0.19 1 39 ASP -5.51 0.09 1 40 TRP -4.60 0.45 1 41 ILE 2.34 -0.94 1 43 PHE 4.40 -0.88 1 44 LYS 4.26 0.44 1 45 GLN 5.07 -0.44 1 46 LEU 1.24 -0.09 1 48 TYR -2.61 0.00 1 50 THR -6.51 -0.22 1 51 LEU 4.33 -1.01 1 52 GLU 5.32 -0.94 1 53 ALA 3.39 -0.44 1 55 LEU 3.84 -1.12 1 56 ARG 3.63 -0.62 1 57 SER 1.37 -0.11 1 58 VAL -0.32 0.65 1 60 ALA 0.97 0.01 1 61 VAL 0.32 -0.09 1 62 VAL -5.75 0.79 1 63 ARG -3.73 0.39 1 64 ILE -2.40 0.75 1 65 GLU -4.99 0.33 1 66 ALA -1.88 0.71 1 67 SER -2.63 0.20 1 68 ARG 4.21 -0.19 1 69 SER 0.43 -0.05 1 71 GLU -1.14 -0.06 1 72 ILE 1.11 0.20 1 73 VAL -1.32 0.03 1 75 TYR -5.32 0.46 1 76 ALA -0.16 0.10 1 77 VAL 1.36 -0.29 1 78 ALA 0.57 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 -2.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.47 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 LEU 9.59 -0.13 0 10 SER 6.50 1.76 1 11 LYS 4.06 3.45 1 12 MET 2.99 1.85 1 13 LEU 3.33 0.93 1 14 ARG 5.43 1.65 1 15 ALA 4.13 3.27 1 16 VAL 4.06 2.23 1 17 LEU 3.89 2.34 1 18 GLN 4.10 1.30 1 19 SER 1.15 -0.97 1 20 HIS -0.27 0.74 1 21 LYS 4.02 0.96 1 22 ASN 0.10 -0.42 1 24 ILE -4.66 -0.95 1 25 VAL 0.98 1.27 1 28 ARG -0.23 0.85 1 29 LEU 4.43 0.27 1 30 GLN 6.13 2.89 1 32 GLU 3.29 2.72 1 33 TYR 3.90 2.48 1 34 ARG 4.10 3.89 1 35 SER 4.58 0.46 1 36 LEU 1.24 0.80 1 37 THR -1.02 1.56 1 39 ASP -5.51 -2.44 1 40 TRP -4.60 1.02 1 41 ILE 2.34 2.20 1 43 PHE 4.40 0.09 1 44 LYS 4.26 5.23 1 45 GLN 5.07 2.17 1 46 LEU 1.24 -1.50 1 48 TYR -2.61 -0.23 1 50 THR -6.51 -1.43 1 51 LEU 4.33 0.59 1 52 GLU 5.32 0.25 1 53 ALA 3.39 2.43 1 54 TYR 3.41 2.66 1 55 LEU 3.84 2.11 1 56 ARG 3.63 -0.23 1 57 SER 1.37 -0.63 1 58 VAL -0.32 -0.62 1 60 ALA 0.97 -0.61 1 61 VAL 0.32 -2.06 1 62 VAL -5.75 -4.04 1 63 ARG -3.73 -1.86 1 64 ILE -2.40 -0.56 1 65 GLU -4.99 -2.19 1 66 ALA -1.88 -0.08 1 67 SER -2.63 1.92 1 68 ARG 4.21 1.06 1 69 SER 0.43 0.55 1 71 GLU -1.14 -1.25 1 72 ILE 1.11 -1.79 1 73 VAL -1.32 -2.76 1 75 TYR -5.32 -0.12 1 76 ALA -0.16 0.11 1 77 VAL 1.36 -1.30 1 78 ALA 0.57 4.33 1 stop_ save_